2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide

C11H14BrNO — CID 10682477

IUPAC2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide
SMILESCc1cccc(N(C)C(=O)CBr)c1C
InChIInChI=1S/C11H14BrNO/c1-8-5-4-6-10(9(8)2)13(3)11(14)7-12/h4-6H,7H2,1-3H3
InChIKeyHHKZVJXDJUBJPW-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.66
Rot. Bonds2

About 2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide

2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide (PubChem CID 10682477) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide
PubChem CID10682477
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide
SMILESCc1cccc(N(C)C(=O)CBr)c1C
InChIInChI=1S/C11H14BrNO/c1-8-5-4-6-10(9(8)2)13(3)11(14)7-12/h4-6H,7H2,1-3H3
InChIKeyHHKZVJXDJUBJPW-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide
CID 146415746
2-(2,6-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-methylacetamide
CID 52705078
N-(2,3-dimethylphenyl)-N-methyl-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 166187270
N-methyl-N-phenyl-2-(N,2,3-trimethylanilino)acetamide
CID 60525145
N-(2,3-dimethylphenyl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 47064356
1,3-diamino-1-(2,3-dimethylphenyl)-3-methylurea;ethane
CID 144597779
N-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide
CID 47313955
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,3-dimethylphenyl)-N-methylpropanamide
CID 98457853
2-(dimethylamino)-N-methyl-N-(2-methylphenyl)acetamide
CID 21343400
2-amino-N-methyl-N-(2-methylphenyl)acetamide
CID 28794373
N-(2,3-dimethylphenyl)-4-ethoxy-N,3-dimethylbenzamide
CID 86938178
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)-N-methylacetamide
CID 55917329

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide?
The IUPAC name of 2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide (CID 10682477) is 2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for 2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for 2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide is Cc1cccc(N(C)C(=O)CBr)c1C.
What is the InChIKey of 2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide?
The InChIKey is HHKZVJXDJUBJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8-5-4-6-10(9(8)2)13(3)11(14)7-12/h4-6H,7H2,1-3H3.
What are the key properties of 2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide?
2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide has a molecular weight of 256.14 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 10682477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).